(±)-Geosmin solution - 2mg/L in methanol , CAS No.16423-19-1

CAS: 16423-19-1 Cat. No.: G466397 分子式: C₁₂H₂₂O 分子量: 182.30 EC番号: 622-365-0

GRADE & PURITY 2mg/L in methanol

Synonyms

(+)-geosmin | AKOS030254240 | NCGC00165927-01 | Q27120688 | LMPR0103090008 | rel-(4R,4aR,8aS)-4,8a-Dimethyloctahydronaphthalen-4a(2H)-ol | 2beta,6alpha-Dimethylbicyclo[4.4.0]decan-1beta-ol | CHEBI:46705 | J-010123 | (4R,4aR,8aS)-4,8a-dimethyloctahydronaph

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Description

(±)-Geosmin solution is commonly used in the odorant removal/degradation studies in the water and food chemistry.

Specifications

同義語

(+)-geosmin | AKOS030254240 | NCGC00165927-01 | Q27120688 | LMPR0103090008 | rel-(4R,4aR,8aS)-4,8a-Dimethyloctahydronaphthalen-4a(2H)-ol | 2beta,6alpha-Dimethylbicyclo[4.4.0]decan-1beta-ol | CHEBI:46705 | J-010123 | (4R,4aR,8aS)-4,8a-dimethyloctahydronaph

仕様と純度

2mg/L in methanol

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

注

The (−)-enantiomer is the principal component of beet aroma.

名前と識別子

• パブケム・シド: 528753458
• カノニカル・スマイル: CC1CCCC2(C1(CCCC2)O)C
• IUPAC Name: (4R,4aR,8aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
• InChIKey: JLPUXFOGCDVKGO-GRYCIOLGSA-N
• INCHI: 1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m1/s1
• 異性体SMILES: C[C@@H]1CCC[C@]2([C@]1(CCCC2)O)C
• WGKドイツ: 2
• 代替CAS番号: 104873-46-3
• 分子量: 182.30
• Reaxy-Rn: 2039179
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039179&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Tertiary alcohol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• External Descriptors: Germacrane sesquiterpenoids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（人間）

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 引火点（°F）: 51.8 °F
• 引火点（°C）: 11 °C
• 沸点（°C）: 270° C
• 分子量: 182.300 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 182.167 Da
• Monoisotopic Mass: 182.167 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 201.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. Jialing Lu, Jia Zheng, Dong Zhao, Yan Xu, Shuang Chen.  (2025)  The Effect of Ethanol on the Compound Thresholds and Aroma Perception in Chinese Baijiu.  MOLECULES,  30  (4): (933).  [PMID:40005243] [10.3390/molecules30040933]